N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

C18H25FN4O2 — CID 131891298

IUPACN-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)N(CCN(C)C)CC3CCCO3)c(F)n2c1
InChIInChI=1S/C18H25FN4O2/c1-13-6-7-15-20-16(17(19)23(15)11-13)18(24)22(9-8-21(2)3)12-14-5-4-10-25-14/h6-7,11,14H,4-5,8-10,12H2,1-3H3
InChIKeyMSPLSITXFCMLFJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 131891298) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID131891298
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)N(CCN(C)C)CC3CCCO3)c(F)n2c1
InChIInChI=1S/C18H25FN4O2/c1-13-6-7-15-20-16(17(19)23(15)11-13)18(24)22(9-8-21(2)3)12-14-5-4-10-25-14/h6-7,11,14H,4-5,8-10,12H2,1-3H3
InChIKeyMSPLSITXFCMLFJ-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-5,7-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 129433974
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 71993852
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74236420
3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 96568637
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 72926752
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 71980640
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 96570042
7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95580774

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 131891298) is N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1ccc2nc(C(=O)N(CCN(C)C)CC3CCCO3)c(F)n2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MSPLSITXFCMLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-13-6-7-15-20-16(17(19)23(15)11-13)18(24)22(9-8-21(2)3)12-14-5-4-10-25-14/h6-7,11,14H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 131891298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).